4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

C23H29N5O4S — CID 55678305

IUPAC4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)N2CCOCC2)o1
InChIInChI=1S/C23H29N5O4S/c1-13-6-7-18(32-13)17(28-8-10-31-11-9-28)12-24-21(29)20-16(4)25-22(33-20)19-14(2)15(3)26-27(5)23(19)30/h6-7,17H,8-12H2,1-5H3,(H,24,29)
InChIKeyBQXLHVXHBPJMLB-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.53
Rot. Bonds6

About 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55678305) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID55678305
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(CNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)N2CCOCC2)o1
InChIInChI=1S/C23H29N5O4S/c1-13-6-7-18(32-13)17(28-8-10-31-11-9-28)12-24-21(29)20-16(4)25-22(33-20)19-14(2)15(3)26-27(5)23(19)30/h6-7,17H,8-12H2,1-5H3,(H,24,29)
InChIKeyBQXLHVXHBPJMLB-UHFFFAOYSA-N
XLogP2.53
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818753
4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18164209
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30544005
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 31444098
N-(3,3-dimethylbutyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 34712738
4-ethyl-5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51283119
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
N-cyclopropyl-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39896132
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97269367

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide (CID 55678305) is 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(C(CNC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)N2CCOCC2)o1.
What is the InChIKey of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is BQXLHVXHBPJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-13-6-7-18(32-13)17(28-8-10-31-11-9-28)12-24-21(29)20-16(4)25-22(33-20)19-14(2)15(3)26-27(5)23(19)30/h6-7,17H,8-12H2,1-5H3,(H,24,29).
What are the key properties of 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55678305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).